SCHEMBL6804801

SCHEMBL6804801

CC(C)n1c(COc2ccc(C[C]=O)cc2)nc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.71
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
FFAR1 O14842 2/20 0.63
PPARA Q07869 2/20 0.63
TP53 P04637 4/20 0.56
MAPT P10636 4/20 0.49
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6800275 0.84 RAB9A (0.69) MEN1KMT2ATP53MAPTNPC1
SCHEMBL21142712 0.84 POLB (1.00) POLBMEN1KMT2AFFAR1PPARA
SCHEMBL20088741 0.74 POLB (0.71) POLBMEN1KMT2ATP53RAB9A
SCHEMBL6959910 0.72 POLB (0.57) POLBMEN1KMT2AFFAR1PPARA
SCHEMBL15567435 0.71 TP53 (0.82) POLBMEN1KMT2ATP53MAPT
SCHEMBL7721500 0.69 POLB (0.63) POLBMEN1KMT2ATP53MAPT
SCHEMBL5520218 0.69 PDE10A (0.66) POLBMEN1KMT2A
SCHEMBL9570011 0.69 POLB (0.58) POLBMEN1KMT2ATP53NPC1
SCHEMBL7274396 0.68 POLB (0.55) POLBMEN1KMT2AFFAR1PPARA
SCHEMBL103328 0.68 POLB (0.61) POLBMEN1KMT2ATP53NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770647-B2 Bicyclic hydroxamates as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-03 US disclosed